[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-keto-2-(4-morpholinosulfonylphenyl)ethyl] ester Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H25NO6S/c1-18(2,3)12-17(21)25-13-16(20)14-4-6-15(7-5-14)26(22,23)19-8-10-24-11-9-19/h4-7H,8-13H2,1-3H3